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PubMedDate not supplied

Rigidity of three different types of mandibular major connector through vibratory observations.

PURPOSE: The purpose of this study was to investigate the vibration characteristics of three different designs of mandibular major connectors in vitro by observing modal animation, decay rate, and maximum amplitude. MATERIALS AND METHODS: Three removable partial denture frameworks--lingual bar, Kennedy bar, and lingual plate--were studied. They were excited by a shaker, and the frequency response functions were recorded on a Fast Fourier Transformational analyzer to identify their modal shapes. Natural frequency and animation of motion at each natural mode of vibration of the three frameworks were observed. In addition, transient response simulations were recorded, and decay rates and maximum amplitude of the resultant transient response waves were computed. RESULTS: The mean decay rate calculated from all the measurement points of the lingual bar, Kennedy bar, and lingual plate was 3.10 s-1 (standard deviation [SD] 0.07), 2.42 s-1 (SD 0.04), and 2.01 s-1 (SD 0.03), respectively. Significant differences in decay rate were found among all pairs (P < .001). Maximum amplitude of the direct and indirect retainers at the nonimpacted side also differed (P = .008). CONCLUSION: All three designs demonstrated no elastic deformation at each natural mode of vibration. In terms of vibration analysis, the lingual bar demonstrated the maximum decay rate and the minimum maximum amplitude of the direct and indirect retainers, both on impacted and nonimpacted sides, indicating that the lingual bar will dissipate the energy through vibration faster than the other designs. Hence, the possibility of creating harmful effects to the oral tissue is lesser.

Analysis of Variance↗
PubMed2005

Modeling human behaviors and reactions under dangerous environment.

This paper describes the framework of a real-time simulation system to model human behavior and reactions in dangerous environments. The system utilizes the latest 3D computer animation techniques, combined with artificial intelligence, robotics and psychology, to model human behavior, reactions and decision making under expected/unexpected dangers in real-time in virtual environments. The development of the system includes: classification on the conscious/subconscious behaviors and reactions of different people; capturing different motion postures by the Eagle Digital System; establishing 3D character animation models; establishing 3D models for the scene; planning the scenario and the contents; and programming within Virtools Dev. Programming within Virtools Dev is subdivided into modeling dangerous events, modeling character's perceptions, modeling character's decision making, modeling character's movements, modeling character's interaction with environment and setting up the virtual cameras. The real-time simulation of human reactions in hazardous environments is invaluable in military defense, fire escape, rescue operation planning, traffic safety studies, and safety planning in chemical factories, the design of buildings, airplanes, ships and trains. Currently, human motion modeling can be realized through established technology, whereas to integrate perception and intelligence into virtual human's motion is still a huge undertaking. The challenges here are the synchronization of motion and intelligence, the accurate modeling of human's vision, smell, touch and hearing, the diversity and effects of emotion and personality in decision making. There are three types of software platforms which could be employed to realize the motion and intelligence within one system, and their advantages and disadvantages are discussed.

Artificial Intelligence↗
PubMed1996

Parametric and nonparametric linkage analysis: a unified multipoint approach.

In complex disease studies, it is crucial to perform multipoint linkage analysis with many markers and to use robust nonparametric methods that take account of all pedigree information. Currently available methods fall short in both regards. In this paper, we describe how to extract complete multipoint inheritance information from general pedigrees of moderate size. This information is captured in the multipoint inheritance distribution, which provides a framework for a unified approach to both parametric and nonparametric methods of linkage analysis. Specifically, the approach includes the following: (1) Rapid exact computation of multipoint LOD scores involving dozens of highly polymorphic markers, even in the presence of loops and missing data. (2) Non-parametric linkage (NPL) analysis, a powerful new approach to pedigree analysis. We show that NPL is robust to uncertainty about mode of inheritance, is much more powerful than commonly used nonparametric methods, and loses little power relative to parametric linkage analysis. NPL thus appears to be the method of choice for pedigree studies of complex traits. (3) Information-content mapping, which measures the fraction of the total inheritance information extracted by the available marker data and points out the regions in which typing additional markers is most useful. (4) Maximum-likelihood reconstruction of many-marker haplotypes, even in pedigrees with missing data. We have implemented NPL analysis, LOD-score computation, information-content mapping, and haplotype reconstruction in a new computer package, GENEHUNTER. The package allows efficient multipoint analysis of pedigree data to be performed rapidly in a single user-friendly environment.

Algorithms↗
PubMed2003

Broadband 13C-13C adiabatic mixing in solution optimized for high fields.

Experiments which require mixing among spins with large frequency differences are generally performed with sequences based on composite pulses or computer-optimized cycles. Adiabatic pulses generally offer several advantages over other approaches, including greater single spin inversion bandwidths and tolerance to RF inhomogeneity. Here, a novel theoretical framework is presented in order to understand how spin-spin interactions are influenced by adiabatic inversion pulses, and insights from this approach are used to design more efficient adiabatic coherence exchange experiments. For very large frequency differences, this new approach generally offers improved results over previously applied mixing sequences, as applied to 13C-13C experiments which are the basis of modern sidechain assignment techniques in proteins. It is also anticipated that the approach presented here will be applicable to the analysis of various alternative approaches to adiabatic mixing.

Algorithms↗
PubMed1987

Medical diagnosis: are expert systems needed?

An evaluation of the pitfalls of computer-aided diagnosis during the last ten years seems to show that increased emphasis on real clinical problems as well as increased use of medical knowledge are required. Since such an approach could fit into the 'expert system' framework, one should expect new developments in that research field to occur soon. However, expert systems can also be designed along the same concepts as previous models of diagnostic reasoning presumably with the same shortcomings.

Diagnosis, Computer-Assisted↗
PubMed1999

The development of computer-generated tailored interventions.

Tailoring information to individual characteristics of a person is a promising line of development of self-help interventions. This article presents a three-phase methodology for developing computer-generated tailored interventions. The first phase of the development concerns the formulation of intervention objectives on the basis of analyses of the cognitive determinants of behavior. The second phase concerns the core of the development of a tailored intervention. For each objective, a so-called tailoring matrix is developed which specifies the individual characteristics to which the message will be adapted to. The tailoring matrices are the basis of the tailored messages and the tailoring questionnaire which will assess the individual characteristics. In the third phase, all the separately written messages must be integrated to one coherent intervention text and the lay-out is designed. This methodology may result in largely different tailored interventions depending on the theoretical framework used, the adaptation of the messages and the inclusion of feedback.

Cognition↗
PubMed2003

DISCO--a general computer program for the computation of acid dissociation constants of polyprotic molecules in water and biological fluids, from nuclear magnetic resonance data: application to polyamines.

A new computer program, DISCO, running under Windows, has been developed under the project CSA98P22 falling within the Competitive Support Activities initiative launched within the EU 4th Framework Programme. DISCO allows the calculation of the stepwise acid dissociation constants of polyprotic molecules in water and in complex media (i.e., biofluids, etc.) from nuclear magnetic resonance (NMR) data (chemical shifts) by means of two derivative-free methods: Pit-mapping and Simplex. DISCO performances were tested using simulated-unaffected by experimental error-data sets, for systems having up to seven equilibrium constants and experimental NMR data of spermine, 6-monofluorospermine, and 6,6-difluorospermine, dissolved in D(2)O and in physiological solution (D(2)O/NaCl). Results demonstrated that (i) DISCO enables the determination of pK(A) values with high precision even when small-sized raw data sets are employed, when chemical shifts are measured with low precision (the usual condition in biofluids due to the impossibility to obtain narrow line shape), and when the guess solution, necessary as an initial step of the mathematical iterative process, is fixed within a large interval of variation; (ii) DISCO always converges to the root; (iii) DISCO permits the calculation of pK(A) values which lie within the observed pH range, independent of the narrowness of the pH range.

Algorithms↗
PubMed2001

Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1(3,8)]-decane.

Five derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1(3,8)]decane were synthesized and their molecular structures in the solid state were determined by means of X-ray diffraction analysis. In addition, the structures of all the molecules were optimized at different levels of computational quantum chemistry (HF/6-31G*, B3LYP/6-31G*). Experimentally determined bond lengths were compared with their calculated counterparts, and striking differences between the Hartree-Fock (HF) results and the experimental data could be traced back to the lack of correlation energy in the geometry optimizations. Two of the compounds under consideration are diastereomers and their relative stability was not only calculated with a conventional ab initio method (ZPE+MP2/6-31G*//HF/6-31G*), but also within the framework of density functional theory (B3LYP/6-31G*). In some of the calculations the influence of the solvent was included in single point calculations by means of an electrostatic model. Moreover, combining experimental as well as computational results, the exclusive axial orientation of a Cl atom in one of the compounds could be explained by an interplay of kinetic and energetic effects.

Journal Article↗
PubMed2026

Community-driven advances in computational mass spectrometry: The perspective of EuBIC-MS members.

Advances in data acquisition, artificial intelligence, and integrative bioinformatics are driving the rapid evolution of computational mass spectrometry, and in turn, transforming modern proteomics, metabolomics, and lipidomics. These developments have greatly increased the scale and complexity of mass spectrometry data, underscoring the importance of evolving accurate, transparent, efficient and reproducible data processing workflows. Addressing these challenges requires collaborative innovation that brings together expertise in software engineering, statistics, and biology. The European Bioinformatics Community for Mass Spectrometry (EuBIC-MS), an initiative of the European Proteomics Association (EuPA), fosters a culture of open, community-driven development through its biennial Developers Meetings and Winter Schools. This commentary summarizes the scientific background and outcomes of the EuBIC-MS Developers Meeting 2025, which took place in Novacella, Italy. Three keynote presentations highlighted major frontiers in the field: deep proteome and phosphoproteome profiling, text mining for protein-protein interaction extraction, and scalable proteomics for AI-driven drug discovery. Seven community-selected hackathons addressed emerging challenges such as single-cell proteomics data analysis, FAIR metadata extraction, deep learning frameworks, R-Python interoperability, and DIA validation. Together, these efforts demonstrate the potential for scientific and technical innovation to arise from open collaboration, and highlight how community-driven initiatives can accelerate progress in computational mass spectrometry. SIGNIFICANCE: Modern proteomics increasingly depends on computational advances to translate complex, high-dimensional data into biological knowledge. The EuBIC-MS Developers Meeting 2025 exemplifies how community-driven collaboration can directly accelerate this process by bringing together experts from bioinformatics, statistics, and experimental proteomics to co-develop open, interoperable, and reproducible analytical tools. By fostering shared software frameworks, transparent benchmarking, and collaborative problem solving, the EuBIC-MS community helps ensure that technological innovation translates into reliable biological insights. This collaborative model strengthens the foundation for quantitative, system-level understanding of proteomes and establishes a sustainable path for integrating artificial intelligence and next-generation data acquisition into routine biological discovery. This commentary shows some current highlights in the field of computational mass spectrometry and community-based approaches undertaken during the most recent Developers Meeting to solve these challenges. The approaches discussed and initiated during the meeting - ranging from deep proteome profiling and phosphosite mapping to text mining, single-cell data analysis, and FAIR metadata extraction - address key bottlenecks that currently limit the biological interpretability and comparability of proteomics data.

Mass Spectrometry↗
PubMed1999

Voxel sensitivity function description of flow-induced signal loss in MR imaging: implications for black-blood MR angiography with turbo spin-echo sequences.

The conditions in which the image intensity of vessels transporting laminar flow is attenuated in black-blood MR angiography (BB-MRA) with turbo spin-echo (TSE) and conventional spin-echo (CSE) pulse sequences are investigated experimentally with a flow phantom, studied theoretically by means of a Bloch equation-voxel sensitivity function (VSF) formalism, and computer modeled. The experiments studied the effects of: a) flow velocity, b) imaging axes orientation relative to the flow direction, and c) phase encoding order of the TSE train. The formulated Bloch equation-VSF theory describes flow effects in two-dimensional (2D)- and 3D-Fourier transform magnetic resonance imaging. In this theoretical framework, the main attenuation mechanism instrumental to BB-MRA, i.e., transverse magnetization dephasing caused by flow in the presence of the imaging gradients, is described in terms of flow-induced distortions of the individual voxel sensitivity functions. The computer simulations predict that the intraluminal homogeneity and extent of flow-induced image intensity attenuation increase as a function of decreasing vessel diameter, in support of the superior image quality achieved with TSE-based BB-MRA in the brain.

Blood Flow Velocity↗
PubMed1997

Using behavioral theory in computer-based health promotion and appraisal.

This article explores how behavioral theory can facilitate the development, implementation, and evaluation of health promotion software packages intended to influence personal health practices and/or assess health risks. Current behavioral theories and models are reviewed, and their relevance to developing health promotion software is discussed. A series of six steps is suggested for developing and evaluating health promotion and appraisal software within a behavioral theory framework. These steps should help to facilitate direct application of the theory-based process to health promotion software development.

Behavioral Sciences↗
PubMed1998

Wavelet-assisted volume ray casting.

Volume rendering is an important technique for computational biology. In this paper we propose a new wavelet-assisted volume ray casting algorithm. The main idea is to use the wavelet coefficients for detecting the local frequency, and decide the appropriate sampling rate along the ray according to the maximum frequency. Our algorithm is to first apply the 3D discrete wavelet transform on the volume, then create an index volume to indicate the necessary sampling distance at each voxel. During ray casting, the original volume is traversed in the spatial domain, while the index volume is used to decide the appropriate sampling distance. We demonstrate that our algorithm provides a framework for approximating the volume rendering at different levels of quality in a rapid and controlled way.

Algorithms↗
PubMed1994

Computer-aided molecular modeling of the binding site architecture for eight monoclonal antibodies that bind a high potency guanidinium sweetener.

Computer-aided molecular modeling of the antibody binding site of eight different monoclonal antibodies (mAb) that bind the intense sweetener ligand (N-(p-cyanophenyl)-N'-diphenylmethyl) guanidine acetic acid was completed using canonical loop structures and framework regions from known immunoglobulins as "parent structures" for the molecular scaffoldings. The models of the fragment variable (Fv) region of the mAb were analyzed for the presence and location of residues predicted to be involved in ligand binding. Several binding site tryptophan residues in these models were located in positions that support previous flurospectroscopic observations of the mAb-ligand complexation. Computer-aided renderings of the electrostatic potential at the van der Waals surface of the Fv region were compared and found to be consistent with the ligand binding specificity profiles for the different mAb. The Fv model of mAb NC6.8 was consistent with the binding site features determined in the Fab structure recently solved by X-ray diffraction techniques. These Fv models should provide an adequate basis for site-directed mutagenesis experiments in order to characterize interactive motifs in the mAb binding site.

Acetates↗
PubMed2006

A gridified protein structure prediction system "Rokky-G" and its implementation issues.

In recent years, simulation using computer systems has been of increasing importance in the life sciences. We have developed a system called "Rokky-G" that facilitates a protein structure prediction strategy called "Rokky" on Grid systems. Rokky-G provides the framework of protein structure prediction on the Grid. In this paper we discuss the architecture of Rokky-G and implementation issues identified in order to obtain highly reliable results.

Algorithms↗
PubMed2000

A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.

A computational algorithm based on Grand Canonical Monte Carlo (GCMC) and Brownian Dynamics (BD) is described to simulate the movement of ions in membrane channels. The proposed algorithm, GCMC/BD, allows the simulation of ion channels with a realistic implementation of boundary conditions of concentration and transmembrane potential. The method is consistent with a statistical mechanical formulation of the equilibrium properties of ion channels (; Biophys. J. 77:139-153). The GCMC/BD algorithm is illustrated with simulations of simple test systems and of the OmpF porin of Escherichia coli. The approach provides a framework for simulating ion permeation in the context of detailed microscopic models.

Algorithms↗
PubMedDate not supplied

Developing interactive continuing education on the Web.

BACKGROUND: To meet the continuing education needs of advanced practice nurses, on-line continuing education modules were designed as part of a grant-funded nurse practitioner learning project. METHOD: Three modules were planned from the results of a nurse practitioner (n=187) survey of computer availability and skills, topic preference, and their potential for taking on-line continuing education. RESULTS: The development and implementation of two of the three modules demonstrates the interactive framework, extensive use of links, pre- and posttesting, and on-line registration. The two modules were designed to be interactive, realistic self-studies that closely resemble clinical practice. CONCLUSIONS: Outcome data are currently being collected on-line and will be analyzed for efficacy of this delivery system for continuing education.

Education, Distance↗
PubMed2006

Sustainable water quality management framework and a strategy planning system for a river basin.

In Taiwan, the authorities have spent years working on remedying polluted rivers. Generally, the remediation planning works are divided into two phases. During the first phase, the allowed pollution discharge quantity and abatement quantity of each drainage zone, including the assimilative capacity, are generated based on the total river basin. In the second phase, the abatement action plans for each pollution source in each drainage zone are respectively devised by the related organizations based on the strategies generated during the first phase. However, the effectiveness of linking the two phases is usually poor. Highly integrated performances are not always achieved because the separate two-phase method does not take system and management thinking into consideration in the planning stage. This study pioneers the use of the Managing for Results (MFR) method in planning strategies and action plans for river water quality management. A sustainable management framework is proposed based on the concept and method of MFR, Management Thinking, and System Analysis. The framework, consisting of planning, implementation, and controlling stages, systematically considers the relationships and interactions among four factors: environment, society, economy, and institution, based on the principles of sustainable development. Based on the framework, the Modified Bounded Implicit Enumeration algorithm, which is used as a solving method, is combined with Visual Basic software and MS Excel to develop a computer system for strategy planning. The Shetzu River, located in northern Taiwan, is applied as a case study. According to the theoretical, practical, and regulatory considerations, the result-oriented objectives are defined to first improve the pollution length of the Shetzu River in specific remediation periods to finally meet regulated water quality standards. The objectives are then addressed as some of the constraints for the strategy planning model. The model objective is to pursue the maximum assimilative capacity (environmental phase) subjected to the constraints of water quality standards (institutional phase), social equity (social phase), and proper available technology (economic phase). The pollution quantity abatement and allocation, which are named the top strategies, of each drainage zone for different scenarios can be obtained based on each water quality standard. The middle as well as lower strategies and action plans, which consist of pollution quantity abatement and allocation of each class (domestic, industrial, livestock, and non-point pollution sources) and their individual pollution sources in each drainage zone, are then generated based on the top strategies. The performance indicators and measure plans are proposed based on the action plans to promote the comprehensive effectiveness of river water quality management. The authorities have begun to develop a budget based on the strategies and action plans developed in this study. The analytical results indicate that the objectives, strategies, and action plans developed based on the sustainable management framework and strategy planning system can effectively help the related authorities to fulfill the tasks of water quality management for a river basin.

Conservation of Natural Resources↗
PubMed2006

Estimating development cost for a tailored interactive computer program to enhance colorectal cancer screening compliance.

The authors used an actual-work estimate method to estimate the cost of developing a tailored interactive computer education program to improve compliance with colorectal cancer screening guidelines in a large multi-specialty group medical practice. Resource use was prospectively collected from time logs, administrative records, and a design and computing subcontract. Sensitivity analysis was performed to examine the uncertainty of the overhead cost rate and other parameters. The cost of developing the system was Dollars 328,866. The development cost was Dollars 52.79 per patient when amortized over a 7-year period with a cohort of 1,000 persons. About 20% of the cost was incurred in defining the theoretic framework and supporting literature, constructing the variables and survey, and conducting focus groups. About 41% of the cost was for developing the messages, algorithms, and constructing program elements, and the remaining cost was to create and test the computer education program. About 69% of the cost was attributable to personnel expenses. Development cost is rarely estimated but is important for feasibility studies and ex-ante economic evaluations of alternative interventions. The findings from this study may aid decision makers in planning, assessing, budgeting, and pricing development of tailored interactive computer-based interventions.

Colorectal Neoplasms↗